Materials Data on CsBeF3 by Materials Project
Abstract
CsBeF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.49 Å. Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Be2+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Be2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-12262
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CsBeF3; Be-Cs-F
- OSTI Identifier:
- 1188668
- DOI:
- https://doi.org/10.17188/1188668
Citation Formats
The Materials Project. Materials Data on CsBeF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1188668.
The Materials Project. Materials Data on CsBeF3 by Materials Project. United States. doi:https://doi.org/10.17188/1188668
The Materials Project. 2020.
"Materials Data on CsBeF3 by Materials Project". United States. doi:https://doi.org/10.17188/1188668. https://www.osti.gov/servlets/purl/1188668. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1188668,
title = {Materials Data on CsBeF3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsBeF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.49 Å. Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Be2+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Be2+ atom.},
doi = {10.17188/1188668},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.